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138624-01-8 | Benzene, 1-bromo-4-(3-methyl-3-buten-1-yl)-
CAS No: 138624-01-8 Catalog No: AG0018X1 MDL No:
Product Description
Catalog Number:
AG0018X1
Chemical Name:
Benzene, 1-bromo-4-(3-methyl-3-buten-1-yl)-
CAS Number:
138624-01-8
Molecular Formula:
C11H13Br
Molecular Weight:
225.1249
IUPAC Name:
1-bromo-4-(3-methylbut-3-enyl)benzene
InChI:
InChI=1S/C11H13Br/c1-9(2)3-4-10-5-7-11(12)8-6-10/h5-8H,1,3-4H2,2H3
InChI Key:
RUXBHBGVJQTCSF-UHFFFAOYSA-N
SMILES:
CC(=C)CCc1ccc(cc1)Br
Properties
Complexity:
143
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.02g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
225.129g/mol
Monoisotopic Mass:
224.02g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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